Dataset

VEN_278.2114_12.5

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET190003 contains the MS2 mass spectrum of VEN_278.2114_12.5 with the InChIkey PNVNVHUZROJLTJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
SMILES	COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1
InChI Key	PNVNVHUZROJLTJ-UHFFFAOYSA-N
Molecular Formula	C17H27NO2
Exact Mass	277.204 g/mol

Data and Resources

VEN_278.2114_12.5HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET190003
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T14:49:37.592535
MetadataModified	2025-02-09T11:08:28.725980
MetadataPublished	2016-03-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB42567671	ChemicalBook
VENLAFAXINE HYDROCHLORIDE	clinicaltrials
VENLAFAXINE	clinicaltrials
HY-B0196	MedChemExpress
GRZ5RCB1QG	FDA SRS
DTXSID6023737	EPA CompTox Dashboard
2813	DrugCentral
7321	Guide to Pharmacology
J347.732K	Nikkaji
EFFEXOR	clinicaltrials
WY-45030	clinicaltrials
EFFEXOR	rxnorm
VENLAFAXINE HYDROCHLORIDE	rxnorm
VENLAFAXINE	DailyMed
VENLAFAXINE	rxnorm
82071	BindingDB
CB14918799	ChemicalBook
CHEMBL637	ChEMBL
DB00285	DrugBank
C07187	KEGG Ligand
9943	ChEBI
210372	Brenda
venlafaxine	DailyMed
CB7136180	ChemicalBook
HMDB0005016	Human Metabolome Database
5656	PubChem
MCULE-6632261838	Mcule
SCHEMBL35154	SureChEMBL
902654	eMolecules
PD010124	ProbesDrugs
15222119	PubChem: Thomson Pharma
PA451866	PharmGKB
LSM-1616	LINCS
93413-69-5	ACToR
The data in this table is sourced from UniChem at EBI.